2-[2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoylamino]propanoylamino]propanoic acid

Systemtic Name: 2-[2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoylamino]propanoylamino]propanoic acid Openeye Name: 2-[2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]propanoylamino]propanoic acid CAS Name: 2-[[1-oxo-2-[[1-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-[2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]propanoylamino]propanoic acid Traditional Name: 2-[2-[[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetyl]amino]propanoylamino]propionic acid Formula: C15H17N3O7S MolecularWeight: 383.37638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)O)NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(C(=O)NC(C)C(=O)O)NC(=O)CN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C15H17N3O7S/c1-8(13(20)17-9(2)15(22)23)16-12(19)7-18-14(21)10-5-3-4-6-11(10)26(18,24)25/h3-6,8-9H,7H2,1-2H3,(H,16,19)(H,17,20)(H,22,23)